SCHEMBL1733244

SCHEMBL1733244

Nc1ncccc1-c1nnn(Cc2ccc(Cc3ccc(Br)s3)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.36
ESR1 P03372 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12155234 0.88 HDAC6 (0.39) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1733064 0.80 RAB9A (0.59) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1734472 0.80 AOC3 (0.36) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1733213 0.79 KMT2A (0.40) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1733904 0.78 L3MBTL1 (0.41) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1732396 0.76 L3MBTL1 (0.48) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1733612 0.76 L3MBTL1 (0.45) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1733654 0.74 MAOB (0.54) L3MBTL1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL3309944 0.73 LTA4H (0.41) L3MBTL1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL7607016 0.72 PARP10 (0.44) HDAC6HDAC3HDAC4HDAC1HDAC7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183264-B2 Pyridine derivative substituted by heteroaryl ring, and antifungal agent comprising the same Eisai R&D Managment Co., Ltd. (JP) 2012-05-22 US disclosed
US-8183264-B2 Pyridine derivative substituted by heteroaryl ring, and antifungal agent comprising the same Eisai R&D Managment Co., Ltd. (JP) 2012-05-22 US disclosed
US-8183264-B2 Pyridine derivative substituted by heteroaryl ring, and antifungal agent comprising the same Eisai R&D Managment Co., Ltd. (JP) 2012-05-22 US disclosed
EP-2065377-B1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-22 US disclosed
EP-2065377-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME Eisai R&D Management Co., Ltd. (JP) 2009-06-03 EP disclosed
EP-2065377-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME Eisai R&D Management Co., Ltd. (JP) 2009-06-03 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 HDAC6 1195/4885HDAC3 1100/4885HDAC4 2465/4885
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME ERG28, CBR3, CBR1 HDAC6 47/4885HDAC3 117/4885HDAC4 638/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.